N-(2,6-diethylphenyl)-6-methyl-4-(2-methylpropoxy)-1-oxidanidyl-2-(phenylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2,6-diethylphenyl)-6-methyl-4-(2-methylpropoxy)-1-oxidanidyl-2-(phenylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 2-benzyl-N-(2,6-diethylphenyl)-4-isobutoxy-6-methyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(2,6-diethylphenyl)-6-methyl-4-(2-methylpropoxy)-1-oxido-2-(phenylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 2-benzyl-N-(2,6-diethylphenyl)-6-methyl-4-(2-methylpropoxy)-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 2-benzyl-N-(2,6-diethylphenyl)-4-isobutoxy-6-methyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C([N+](=C(C=C2OCC(C)C)C)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C([N+](=C(C=C2OCC(C)C)C)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C28H34N2O3/c1-6-22-14-11-15-23(7-2)27(22)29-28(31)26-24(17-21-12-9-8-10-13-21)30(32)20(5)16-25(26)33-18-19(3)4/h8-16,19H,6-7,17-18H2,1-5H3,(H,29,31)